0 mol 26 unq 0 iso 0 dist 7.46207 9.89914 12.8511 4.94576 6.12361 14.31 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.96602 5.19407 9.35725 4.23581 9.58834 8.5781 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.53393 6.50622 7.12219 5.42987 9.95767 10.009 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.53393 4.45433 4.85618 5.42987 9.95767 7.50229 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.57265 6.50622 5.34874 5.42987 5.68286 10.009 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 5.57265 4.45433 3.68023 5.42987 5.68286 7.50229 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.09906 7.60619 3.83059 5.46484 8.0139 6.64921 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.22024 9.3873 5.77384 5.22308 6.00727 11.166 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.57582 9.66726 5.77384 8.11558 6.00727 11.166 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 8.59098 5.78626 9.07614 5.9798 8.9053 11.2866 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 8.59098 4.68068 6.05019 5.9798 8.9053 9.04564 numMergedOcc 0
11 mol 159 unq 0 iso 0 dist 9.21254 7.81895 9.97852 6.13208 6.25034 11.1282 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.15806 4.29411 4.30308 9.38106 7.51951 10.1734 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 8.98668 9.87415 17.6924 9.5511 7.73213 17.1605 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 9.02643 8.24401 13.6258 11.4971 8.82388 19.1833 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 9.02643 8.44543 10.0874 11.4971 8.82388 17.1206 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.44862 6.92906 11.6803 10.2996 8.23381 14.9492 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.44862 5.57978 4.02333 10.2996 8.23381 6.90511 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.85672 9.26331 3.35448 5.61397 8.91251 12.1277 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 8.57445 7.7096 5.46481 4.85294 6.45326 6.04835 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.36173 8.90276 6.91483 10.6577 8.88221 15.6388 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 6.36173 8.90276 6.91483 11.0378 9.65027 12.4086 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 6.36173 8.15409 4.36268 10.6577 8.88221 12.4157 numMergedOcc 0
23 mol 274 unq 3 iso 0 dist 6.36173 8.15409 4.36268 11.0378 9.65027 13.6962 numMergedOcc 0
